SCHEMBL7801973

SCHEMBL7801973

NC(=O)[C@@H](CCCNc1ncc[nH]1)N(Cc1ccc(O)cc1)C(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC3R P41968 7/20 0.38
MC4R P32245 3/20 0.38
ALOX5 P09917 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
ITGA2B P08514 2/20 0.34
RIOK2 Q9BVS4 4/20 0.33
GSK3A P49840 3/20 0.33
MAPK10 P53779 3/20 0.33
MC5R P33032 8/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MAPK8 P45983 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
SNRK Q9NRH2 1/20 0.32
NLRP3 Q96P20 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4650858 0.89 ITGB3 (0.38) TRPC3TRPC7TRPC5ITGB3ITGAV
Hydrochloric Acid SCHEMBL8120478 0.88 ITGB3 (0.38) TRPC3TRPC7TRPC5ITGB3ITGAV
SCHEMBL7750609 0.87 ROCK1 (0.38) TRPC3TRPC7TRPC5ITGB3ITGAV
SCHEMBL8119519 0.84 NPC1 (0.38)
SCHEMBL7750605 0.81 NPY1R (0.33) ITGB3ITGAVITGA2B
SCHEMBL7746039 0.80 ITGB3 (0.33) ITGB3ITGAVITGA2B
SCHEMBL8126909 0.77 CASP1 (0.43)
SCHEMBL8113828 0.76 REN (0.37) ITGB3ITGAVITGA2B
SCHEMBL7801972 0.76 NPY1R (0.42) MC3RMC4RITGB3ITGAVITGA2B
SCHEMBL8111678 0.76 ITGB3 (0.32) ITGB3ITGAVITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed